Geometry & MOs

Info

ID:

193682

PubChem CID:

78423046

Reduced:

NO2C19H24 (1)

Stoich.:

AB2C19D24 (1)

Weight, g/mol:

183.069557

ΔHf, kcal/mol:

-26.52

Dipole, Da:

2.66

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.237528

Charge, e:

 0

Chem-info

IUPAC name:

2-azaniumyl-3-(2-fluorophenyl)propanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2C3=CC(=C(C=C3CC[NH2+]2)OC)OC)C

DOS

IR

Vibrations